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Kathleen A Schwarz
Kathleen A Schwarz
Research Chemist, NIST
在 cornell.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Nanoscale Imaging of Lithium Ion Distribution During In Situ Operation of Battery Electrode and Electrolyte
ME Holtz, Y Yu, D Gunceler, J Gao, R Sundararaman, KA Schwarz, ...
Nano letters 14 (3), 1453-1459, 2014
2372014
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
D Gunceler, K Letchworth-Weaver, R Sundararaman, KA Schwarz, ...
Modelling and Simulation in Materials Science and Engineering 21 (7), 074005, 2013
1852013
JDFTx: software for joint density-functional theory
R Sundararaman, K Letchworth-Weaver, KA Schwarz, D Gunceler, ...
SoftwareX 6, 278-284, 2017
1822017
Co-adsorption of cations causes the apparent pH dependence of hydrogen adsorption on a stepped platinum single-crystal electrode
X Chen, I McCrum, K Schwarz, M Janik, MTM Koper
Angewandte Chemie, 2017
1652017
Direct visualization of sulfur cathodes: new insights into Li-S batteries via operando X-ray based methods
SH Yu, X Huang, K Schwarz, R Huang, T Arias, J Brock, HD Abruna
Energy and Environmental Science, 2017
812017
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
R Sundararaman, K Schwarz
The Journal of Chemical Physics 146 (8), 084111, 2017
742017
Formic acid oxidation on platinum: a simple mechanistic study
KA Schwarz, R Sundararaman, TP Moffat, TC Allison
Physical Chemistry Chemical Physics 17 (32), 20805-20813, 2015
542015
Spicing up continuum solvation models with SaLSA: the spherically-averaged liquid susceptibility ansatz
R Sundararaman, KA Schwarz, K Letchworth-Weaver, TA Arias
J. Chem. Phys. 142, 054102, 2015
522015
The electrochemical interface in first-principles calculations
K Schwarz, R Sundararaman
Surface Science Reports, 100492, 2020
472020
Partial oxidation of step-bound water leads to anomalous pH effects on metal electrode step-edges
K Schwarz, B Xu, Y Yan, R Sundararaman
Physical Chemistry Chemical Physics 18 (24), 16216-16223, 2016
372016
Effect of Step Density and Orientation on the Apparent pH Dependence of Hydrogen and Hydroxide Adsorption on Stepped Platinum Surfaces
I McCrum, X Chen, KA Schwarz, MJ Janik, MTM Koper
The Journal of Physical Chemistry C, 2018
342018
Improving Accuracy of Electrochemical Capacitance and Solvation Energetics in First-Principles Calculations
R Sundararaman, K Letchworth-Weaver, K Schwarz
The Journal of chemical physics 148 (144105), 2018
342018
Spectroscopic Characterization of Charged Defects in Polycrystalline Pentacene by Timeand WavelengthResolved Electric Force Microscopy
JL Luria, KA Schwarz, MJ Jaquith, RG Hennig, JA Marohn
Advanced Materials 23 (5), 624-628, 2011
342011
Absence of diffuse double layer effect on the vibrational properties and oxidation of chemisorbed carbon monoxide on a Pt (111) electrode
MC Figueiredo, D Hiltrop, R Sundararaman, KA Schwarz, MTM Koper
Electrochimica Acta, 2018
252018
Framework for solvation in quantum Monte Carlo
KA Schwarz, R Sundararaman, K Letchworth-Weaver, TA Arias, ...
Physical Review B 85 (20), 5, 2012
192012
Electrochemical capacitance of CO-terminated Pt (111) is dominated by CO-solvent gap
R Sundararaman, MC Figueiredo, M Koper, KA Schwarz
J. Phys. Chem. Lett. 8, 55344-5348, 2017
182017
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
AM Maldonado, S Hagiwara, TH Choi, F Eckert, K Schwarz, ...
The Journal of Physical Chemistry A 125 (1), 154-164, 2021
122021
Sitespecific experiments on folding/unfolding of Jun coiled coils: Thermodynamic and kinetic parameters from spin inversion transfer nuclear magnetic resonance at leucine18
DA d'Avignon, GL Bretthorst, ME Holtzer, KA Schwarz, RH Angeletti, ...
Biopolymers 83 (3), 255-267, 2006
92006
Measuring ion-pairing and hydration in variable charge supramolecular cages with microwave microfluidics
AC Stelson, CM Hong, MC Groenenboom, CAE Little, JC Booth, ND Orloff, ...
Communications Chemistry 2 (1), 54, 2019
82019
Halide-Induced Step Faceting and Dissolution Energetics from Atomistic Machine Learned Potentials on Cu (100)
MC Groenenboom, TP Moffat, KA Schwarz
The Journal of Physical Chemistry C, 2020
72020
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